N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide

C17H23N3O2S — CID 113009793

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C17H23N3O2S/c1-5-14(4)19-17-9-8-15(11-18-17)20-23(21,22)16-10-12(2)6-7-13(16)3/h6-11,14,20H,5H2,1-4H3,(H,18,19)
InChIKeyCLRAHWGSSKEEAY-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.71
Rot. Bonds6

About N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113009793) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113009793
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C17H23N3O2S/c1-5-14(4)19-17-9-8-15(11-18-17)20-23(21,22)16-10-12(2)6-7-13(16)3/h6-11,14,20H,5H2,1-4H3,(H,18,19)
InChIKeyCLRAHWGSSKEEAY-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
CID 113011925
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113009793) is N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cn1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is CLRAHWGSSKEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-14(4)19-17-9-8-15(11-18-17)20-23(21,22)16-10-12(2)6-7-13(16)3/h6-11,14,20H,5H2,1-4H3,(H,18,19).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113009793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).